For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
18-([(1-Phenylethyl)amino]carbonyl)-2,13-dioxabicyclo[12.2.2]octadeca-1(16),14,17-triene-15-carboxylic acid
SpectraBase Compound ID B4PicITgKeR
InChI InChI=1S/C26H33NO5/c1-19(20-13-9-8-10-14-20)27-25(28)22-17-21-18-23(26(29)30)24(22)32-16-12-7-5-3-2-4-6-11-15-31-21/h8-10,13-14,17-19H,2-7,11-12,15-16H2,1H3,(H,27,28)(H,29,30)
InChIKey UTQZXEYMWSUCSB-UHFFFAOYSA-N
Mol Weight 439.6 g/mol
Molecular Formula C26H33NO5
Exact Mass 439.235873 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID GDPojNH75Ij
Name 2,13-DIOXABICYCLO[12.2.2]OCTADECA-14,16,17-TRIENE-15-CARBOXYLIC ACID, 18-[[(1-PHENYLETHYL)AMINO]CARBONYL]-, STEREOISOMER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H33NO5
InChI InChI=1S/C26H33NO5/c1-19(20-13-9-8-10-14-20)27-25(28)22-17-21-18-23(26(29)30)24(22)32-16-12-7-5-3-2-4-6-11-15-31-21/h8-10,13-14,17-19H,2-7,11-12,15-16H2,1H3,(H,27,28)(H,29,30)
InChIKey UTQZXEYMWSUCSB-UHFFFAOYSA-N
Molecular Weight 439.2350
SMILES N(C(C)c1ccccc1)C(c1cc2OCCCCCCCCCCOc1c(C(O)=O)c2)=O
SPLASH splash10-0a4i-6921000000-19560c4581085f22cc76
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany